| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:35 UTC |
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| Update Date | 2025-03-21 17:57:02 UTC |
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| HMDB ID | HMDB0034323 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005203 |
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| Name | S-Allylcysteine |
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| Frequency | 1039.1 |
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| Structure | |
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| Chemical Formula | C6H11NO2S |
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| Molecular Mass | 161.051 |
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| SMILES | C=CCSCC(N)C(=O)O |
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| InChI Key | ZFAHNWWNDFHPOH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundsalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherallyl sulfur compoundorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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